D-(-)-苏糖

D-(-)-苏糖 基本信息
CAS号 95-43-2 分子式 C4H8O4
分子量 120.10400 精确质量  120.04200
PSA  69.92000 LogP  -1.94320

等价的CAS号:

95-43-2,95-44-3,533-49-3,583-50-6,1758-51-6,7558-94-3,29825-68-1,29884-64-8,38982-45-5

基本信息 展开↓

CAS号:
95-43-2
3D弹球模型:
立即前往扯扯看
分子式:
C4H8O4
分子量:
120.10400
中文名称:
D-(-)-苏糖
英文名称:
D-threose
中文别名:
D-(-)-苏糖;
D-苏糖
英文别名:
D-threose;
N-Boc-D-phenylglycine;
Dg-threo-2,3,4-Trihydroxy-butyraldehyd;
D-N-Boc-phenylglycine;
(S-(R*,S*))-2,3,4-trihydroxy-butanal;
N-Boc-L-phenylglycine;
Boc-D-Phenylglycine;
(2R)-2-{[(tert-butoxy)carbonyl]amino}-2-phenylacetic acid;
(R*,R*)-(+)-thiomicamine;
Boc-(R)-phenylglycine;
N-(tert-Butoxycarbonyl)-D-2-phenylglycine;
D-(-)-threose;
Boc-D-Phg-OH;
(R(R*,R*))-2-amino-1-[p-(methylthio)phenyl]propane-1,3-diol;
(S(R*,R*))-2-amino-1-[p-(methylthio)phenyl]propane-1,3-diol;
(R)-Boc-phenylglycine;
(1R,2R)-2-Amino-1-(4-methylmercapto-phenyl)-propan-1,3-diol;
(-)-(1R,2R)-2-Amino-1-<4-(methylthio)phenyl>-1,3-propanediol;
(R)-2-[(tert-butoxy)carbonylamino]-2-phenylacetic acid;
(2S,3R)-2,3,4-Trihydroxybutanal;
BENZENESULFONAMIDE, 4-CHLORO-N-(1-CYCLOHEXYL-1H-IMIDAZOL-2-YL)-;
(1R,2R)-2-amino-1-(4-methylsulfanyl-phenyl)-propane-1,3-diol;
D-(-)-threo-2-amino-1-(4-(methylthio)phenyl)-1,3-propanediol
精确分子量/精确质量:
120.04200
极性分子表面积/PSA:
69.92000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00043042
EINECS:
202-418-0
PubChem:
24900449
BRN:
1721696
InChI:
The Key: YTBSYETUWUMLBZ-IUYQGCFVSA-N

物化性质展开↓

外观与性状:
易潮解的晶体
密度:
1.41g/cm3
沸点:
311.1ºC at 760mmHg
闪点:
156.2ºC
折射率:
1.619
其它信息:

1.      性状:潮解性晶体,味甜。

2.      密度(g/mL,20℃):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):126-136

5.      沸点(ºC,常压):未确定

6.      沸点(ºC,KPa):未确定

7.      折射率:未确定

8.      闪点(ºC):未确定

9.      比旋光度(º):未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(mmHg,ºC):未确定

12.   饱和蒸气压(kPa,ºC):未确定

13.   燃烧热(KJ/mol):未确定

14.   临界温度(ºC):未确定

15.   临界压力(KPa):未确定

16.   油水(辛醇/水)分配系数的对数值:未确定

17.   爆炸上限(%,V/V):未确定

18.   爆炸下限(%,V/V):未确定

19.   溶解性:易溶于水,微溶于酒精,难溶于乙醚及石油醚。

安全信息展开↓

海关代码:
2912491000

合成路线查看所有的合成路线

  • 59-23-4

    D-吡喃葡萄糖

  • +

  • 64-19-7

    乙酸

  • 95-43-2

    D-(-)-苏糖

  • +

  • 1114-34-7

    D(-)-来苏糖

  • 533-50-6

    L(+)-赤藓酮糖(水合)

  • 95-43-2

    D-(-)-苏糖

  • +

  • 583-50-6

    D-赤藓糖

  • 453-17-8

    D-(+)-甘油醛

  • +

  • 141-46-8

    羟乙醛

  • 95-43-2

    D-(-)-苏糖

  • +

  • 10323-20-3

    D-(-)-阿拉伯糖

MSDS 展开↓

Name: D(-)-Threose Material Safety Data Sheet
Synonym:
CAS: 95-43-2
Section 1 - Chemical Product   MSDS Name:D(-)-Threose Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
95-43-2 D(-)-Threose 202-418-0
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
  Handling:
Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Deep freeze (below -20C).

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 95-43-2: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Viscous liquid
Color: white - yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 69-72 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Soluble.
Specific Gravity/Density:
Molecular Formula: C5H10O4
Molecular Weight: 134.13

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 95-43-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
D(-)-Threose - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 95-43-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 95-43-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 95-43-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2912491000

概述:
2912491000. 醛醇. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
摘要/Summary:
2912491000. other aldehyde-alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、  摩尔折射率:24.82

2、  摩尔体积(cm3/mol):70.7

3、  等张比容(90.2K):204.9

4、  表面张力(dyne/cm):70.5

5、  极化率(10-24cm3):9.84

计算化学数据


1、   疏水参数计算参考值(XlogP):-1.9

2、   氢键供体数量:3

3、   氢键受体数量:4

4、   可旋转化学键数量:0

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):69.9

7、   重原子数量:8

8、   表面电荷:0

9、   复杂度:84.1

10、同位素原子数量:0

11、确定原子立构中心数量:2

12、不确定原子立构中心数量:1

13、确定化学键立构中心数量:0

14、不确定化学键立构中心数量:0

15、共价键单元数量:1

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